N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H16F3N5O2 — CID 137049112

IUPACN-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2C(F)(F)F)n1
InChIInChI=1S/C15H16F3N5O2/c1-8-6-11(24)22-14(20-8)23-12(15(16,17)18)10(7-19-23)13(25)21-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,21,25)(H,20,22,24)
InChIKeyZBXPGLSARBBOEH-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.96
Rot. Bonds3

About N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 137049112) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID137049112
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC NameN-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2C(F)(F)F)n1
InChIInChI=1S/C15H16F3N5O2/c1-8-6-11(24)22-14(20-8)23-12(15(16,17)18)10(7-19-23)13(25)21-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,21,25)(H,20,22,24)
InChIKeyZBXPGLSARBBOEH-UHFFFAOYSA-N
XLogP1.96
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739421
6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 126739517
2-[5-Methyl-4-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049565
2-[5-Methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049584
4-methyl-6-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739448
6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 126750647
N-cyclopentyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136035916
N-cyclopentyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035921
N-cyclopentyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035926
2-[5-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049025
N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049038
N-ethyl-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-propylpyrazole-4-carboxamide
CID 137049040

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 137049112) is N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2C(F)(F)F)n1.
What is the InChIKey of N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZBXPGLSARBBOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-8-6-11(24)22-14(20-8)23-12(15(16,17)18)10(7-19-23)13(25)21-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,21,25)(H,20,22,24).
What are the key properties of N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 137049112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).